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126535-92-0 | Propanoic acid, 3,3,3-trifluoro-2-[[(phenylmethoxy)carbonyl]imino]-, ethyl ester
CAS No: 126535-92-0 Catalog No: AG000SWR MDL No:MFCD05664154
Product Description
Catalog Number:
AG000SWR
Chemical Name:
Propanoic acid, 3,3,3-trifluoro-2-[[(phenylmethoxy)carbonyl]imino]-, ethyl ester
CAS Number:
126535-92-0
Molecular Formula:
C13H12F3NO4
Molecular Weight:
303.2339
MDL Number:
MFCD05664154
IUPAC Name:
ethyl 3,3,3-trifluoro-2-phenylmethoxycarbonyliminopropanoate
InChI:
InChI=1S/C13H12F3NO4/c1-2-20-11(18)10(13(14,15)16)17-12(19)21-8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
InChI Key:
MSAOLBKMAUXBHC-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(=NC(=O)OCc1ccccc1)C(F)(F)F
Properties
Complexity:
401
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.072g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
303.237g/mol
Monoisotopic Mass:
303.072g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
65A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.4
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